5417-82-3

• 常用中文名：2-(1-乙氧基亚乙基)丙二腈
• 常用英文名：2-(1-Ethoxyethylidene)malononitrile
• CAS号：5417-82-3
• 分子式：C₇H₈N₂O
• 分子量：136.151
• 相关类别： 化学试剂 有机试剂 氰化物/腈
• 发布时间：2018-06-20 18:41:26
• 更新时间：2024-01-05 17:17:08
• 下载msds

名称

• 中文名: 2-(1-乙氧基亚乙基)丙二腈
• 英文名: (1-Ethoxyethylidene)malononitrile
• 中文别名: 1-氧基马来腈; 乙氧基乙缩醛马来腈
• 英文别名: 2-(1-ethoxyethylidene)propanedinitrile; 2-(1-ethoxyethylidene)-Propanedinitrile; (1-Ethoxyethylidene)malononitrile; ethoxyethylidene malononitrile; Propanedinitrile, 2-(1-ethoxyethylidene)-; MFCD00001852; 2-(1-Ethoxy-ethylidene)-malononitri; le; EINECS 226-521-5

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 312.6±22.0 °C at 760 mmHg
• 熔点: 90-92 °C(lit.)
• 分子式: C₇H₈N₂O
• 分子量: 136.151
• 闪点: 137.1±15.2 °C
• 精确质量: 136.063660
• PSA: 56.81000
• LogP: 0.87
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.461
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性: 常温常压下稳定，避免与不相容材料，强氧化剂接触。 与强氧化剂，强还原剂，强酸，强碱反应。
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.9

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积56.8

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:217

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：米色或白色针状粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：90-92

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,11mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: (1-Ethoxyethylidene)-Malononitrile 99+% Material Safety Data Sheet Synonym: (1-Ethoxyethylidene)propanedinitrile CAS: 5417-82-3 Section 1 - Chemical Product MSDS Name:(1-Ethoxyethylidene)-Malononitrile 99+% Material Safety Data Sheet Synonym:(1-Ethoxyethylidene)propanedinitrile Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5417-82-3 (1-Ethoxyethylidene)malononitrile 99+ 226-521-5 Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration. Chronic: May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. Notes to Physician: May be partially metabolized to cyanide in the body. Antidote: Always have a cyanide antidote kit on hand when working with cyanide compounds. Get medical advice to use. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 5417-82-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: beige Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 90.00 - 92.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C7H8N2O Molecular Weight: 136.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5417-82-3: TY1510000 LD50/LC50: Not available. Carcinogenicity: (1-Ethoxyethylidene)malononitrile - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 5417-82-3: No information available. Canada CAS# 5417-82-3 is listed on Canada's NDSL List. CAS# 5417-82-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5417-82-3 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、急性毒性：大鼠经口LDLo：312mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : TY1510000 CHEMICAL NAME : Propanedinitrile, (1-ethoxyethylidene)- CAS REGISTRY NUMBER : 5417-82-3 BEILSTEIN REFERENCE NO. : 0906913 LAST UPDATED : 199710 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C7-H8-N2-O HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 312 mg/kg TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring) Blood - changes in spleen REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0487-0663 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6425 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302 + H312 + H332-H315-H319-H335
• 警示性声明: P261-P280-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R20/21/22;R36/37/38
• 安全声明 (欧洲): S26-S28-S36/37/39-S45
• 危险品运输编码: UN 3439 6.1/PG 3
• WGK德国: 3
• RTECS号: TY1510000
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2926909090

合成路线

78-39-7 109-77-3 ~99% 5417-82-3

文献：ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC.; ADDEX PHARMA S.A.; CID-NUNEZ, Jose, Maria; TRABANCO-SUAREZ, Andres, Avelino; MACDONALD, Gregor, James Patent: WO2010/60589 A1, 2010 ; Location in patent: Page/Page column 28 ; WO 2010/060589 A1

海关

海关编码	2926909090
中文概述	2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%